methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0411 |
| Compound Name: | methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C24 H28 N2 O5 S |
| Smiles: | Cc1ccc(cc1)C1C(=C(CS(c2ccc(cc2)C(C)(C)C)(=O)=O)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1038 |
| logD: | 3.678 |
| logSw: | -4.1721 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.237 |
| InChI Key: | HVJISFUEQVQCDX-OAQYLSRUSA-N |